SCHEMBL7707342

SCHEMBL7707342

CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cnc(CN2CCOCC2)nc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6016350 0.82 TACR1 (0.60) TACR1
SCHEMBL6016333 0.79 TACR1 (0.56) TACR1
SCHEMBL5781482 0.78 TACR1 (0.65) TACR1
SCHEMBL6016362 0.77 PTGS2 (0.45)
SCHEMBL4116562 0.73 TACR1 (0.57) TACR1
SCHEMBL905350 0.73 TACR1 (0.65) TACR1
SCHEMBL905354 0.72 TACR1 (0.83) TACR1
SCHEMBL8786855 0.72 TACR1 (1.00) TACR1
SCHEMBL5782949 0.71 TACR1 (0.65) TACR1
SCHEMBL6016506 0.71 TACR1 (0.48) TACR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187815-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 EP disclosed
WO-2000073279-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 WO disclosed